4-cyano-N-[4-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-1,3-thiazol-2-yl]benzamide

Systemtic Name: 4-cyano-N-[4-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-1,3-thiazol-2-yl]benzamide Openeye Name: N-[4-(1-allyl-2,5-dimethyl-pyrrol-3-yl)thiazol-2-yl]-4-cyano-benzamide CAS Name: 4-cyano-N-[4-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-thiazolyl]benzamide IUPAC Name: 4-cyano-N-[4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-1,3-thiazol-2-yl]benzamide Traditional Name: N-[4-(1-allyl-2,5-dimethyl-pyrrol-3-yl)thiazol-2-yl]-4-cyano-benzamide Formula: C20H18N4OS MolecularWeight: 362.44812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H18N4OS/c1-4-9-24-13(2)10-17(14(24)3)18-12-26-20(22-18)23-19(25)16-7-5-15(11-21)6-8-16/h4-8,10,12H,1,9H2,2-3H3,(H,22,23,25)